methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

C20H23N7O3 — CID 118395279

IUPACmethyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCOC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12
InChIInChI=1S/C20H23N7O3/c1-27-10-14(12-6-4-3-5-7-12)16(11-27)22-19(28)23-17-8-15-13(9-21-17)18(26-25-15)24-20(29)30-2/h3-9,14,16H,10-11H2,1-2H3,(H2,21,22,23,28)(H2,24,25,26,29)/t14-,16+/m0/s1
InChIKeyKIIICHBGYQYCMC-GOEBONIOSA-N
MW409.45 g/mol
LogP2.36
Rot. Bonds4

About methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (PubChem CID 118395279) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
PubChem CID118395279
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Namemethyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCOC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12
InChIInChI=1S/C20H23N7O3/c1-27-10-14(12-6-4-3-5-7-12)16(11-27)22-19(28)23-17-8-15-13(9-21-17)18(26-25-15)24-20(29)30-2/h3-9,14,16H,10-11H2,1-2H3,(H2,21,22,23,28)(H2,24,25,26,29)/t14-,16+/m0/s1
InChIKeyKIIICHBGYQYCMC-GOEBONIOSA-N
XLogP2.36
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The IUPAC name of methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (CID 118395279) is methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12.
What is the InChIKey of methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The InChIKey is KIIICHBGYQYCMC-GOEBONIOSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-27-10-14(12-6-4-3-5-7-12)16(11-27)22-19(28)23-17-8-15-13(9-21-17)18(26-25-15)24-20(29)30-2/h3-9,14,16H,10-11H2,1-2H3,(H2,21,22,23,28)(H2,24,25,26,29)/t14-,16+/m0/s1.
What are the key properties of methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate has a molecular weight of 409.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 118395279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).